CID 86062

Hexan-3-amine

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CCCC(CC)N

InChI

InChI=1S/C6H15N/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3

InChIKey

HQLZFBUAULNEGP-UHFFFAOYSA-N

Compound name

hexan-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5807
Patents: 101.12045 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	102.127726	124.0
[M+Na]+	124.109668	130.2
[M-H]-	100.113174	123.9
[M+NH4]+	119.154273	146.9
[M+K]+	140.083608	130.1
[M+H-H2O]+	84.117710	119.5
[M+HCOO]-	146.118651	147.2
[M+CH3COO]-	160.134301	172.1
[M+Na-2H]-	122.095116	129.0
[M]+	101.11990142	122.8
[M]-	101.12099858	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe